Basic information
- CAS
80866-87-1- Standard SMILES
COC(C#N)(c1ccccc1)C(F)(F)F- InChIKey
UBOJBAYKXZRZHI-UHFFFAOYSA-N- Molecular formula
- C10H8F3NO
- Average molar mass
- 215.17 g/mol
- Monoisotopic mass
- 215.05579836
Names & identifiers
- Preferred name
- Methoxyphenyl(trifluoromethyl)acetonitrile
- IUPAC
- 3,3,3-trifluoro-2-methoxy-2-phenylpropanenitrile
- English name
- 2-METHOXY-2-PHENYL-3,3,3-TRIFLUOROPROPIONITRILE
- Molecular formula
- C10H8F3NO
- Molecular weight
- 215.17
Names & synonyms
Methoxyphenyl(trifluoromethyl)acetonitrileEINECS 279-591-4RefChem:811824279-591-480866-87-12-Methoxy-2-phenyl-3,3,3-trifluoropropionitrile3,3,3-Trifluoro-2-methoxy-2-phenylpropanenitrileMFCD00001844alpha-Methoxy-alpha-(trifluoromethyl)phenylacetonitrileTH9LTL6EPR2-Methoxy-2-phenyl-3,3,3-trifluoropropanenitrilealpha-Methoxy-alpha-(trifluoromethyl)benzeneacetonitrile
Show more names
LABOTEST-BB LT001596512-Methoy-2-phenyl-3,3,3-trifluoropropionitrileα-methoxy-α-(trifluoromethyl)phenylacetonitrileα-Methoxy-α-(trifluoromethyl)benzeneacetonitrileα-(Trifluoromethyl)-α-methoxybenzeneacetonitrilealpha-methoxy-alpha-(trifluoromethyl)-phenylaceto
SCHEMBL13785278DTXSID001001598SBB057240AKOS005257800PS-6941SY050412DB-056472CS-0312641
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 76 · 76-82 °C12 mm Hg(lit.)
- Density
- 1.152 g/mL · 1.152 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.444(lit.)
- Flash point
- 153 °F · 153 °F
- form
- clear liquid
- color
- Colorless to Almost colorless
- CAS DataBase Reference
- 80866 · 80866-87-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H302-H312-H315-H319-H332
- Precautionary statements
- 280 h-P305+P351+P338-P309-P310 · P280h-P305+P351+P338-P309-P310
- Hazard Codes
- Xn,T,Xi
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 23 · 23-26-28-37/39
- RIDADR
- 3276 · UN3276
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95.7%)
Safety data
- wgk
- 3
- ridadr
- UN3276
- hs_code
- 29269090
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,T,Xi
- hazard_note
- Toxic
- safety_code
- 23-26-28-37/39
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H227-H302-H312-H315-H319-H332
- Precautionary statements
- P280h-P305+P351+P338-P309-P310
Chemistry & industry
Suppliers24 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安徽合诺生物科技有限公司0555-2761852
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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